Geometry & MOs

Info

ID:

439664

PubChem CID:

135229451

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

195.06

Dipole, Da:

1.63

IP(EA), eV:

 -7.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C2=CC=CC=C2C=C9)OC2=C8C=CC3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations